1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide

C9H15N3O4 — CID 142687684

IUPAC1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(=NOC)CC1C(N)=O
InChIInChI=1S/C9H15N3O4/c1-15-5-8(13)12-4-6(11-16-2)3-7(12)9(10)14/h7H,3-5H2,1-2H3,(H2,10,14)
InChIKeyGWYSQSMOXWXACZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.28
Rot. Bonds4

About 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide

1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide (PubChem CID 142687684) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
PubChem CID142687684
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(=NOC)CC1C(N)=O
InChIInChI=1S/C9H15N3O4/c1-15-5-8(13)12-4-6(11-16-2)3-7(12)9(10)14/h7H,3-5H2,1-2H3,(H2,10,14)
InChIKeyGWYSQSMOXWXACZ-UHFFFAOYSA-N
XLogP-1.28
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 142087777
(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725521
(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 22223601
4-(dimethylamino)-1-[(2S)-4-methoxyimino-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 131725534
(4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 10224687
(2S,4E)-N'-hydroxy-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboximidamide
CID 86614668
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide
CID 143329837
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 85054827
(2S)-N-benzyl-1-(2,2-diphenylacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725459
N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
CID 131737531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide (CID 142687684) is 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide is COCC(=O)N1CC(=NOC)CC1C(N)=O.
What is the InChIKey of 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
The InChIKey is GWYSQSMOXWXACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-15-5-8(13)12-4-6(11-16-2)3-7(12)9(10)14/h7H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide?
1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of -1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 142687684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).